[1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol

C13H23NO2 — CID 104695274

IUPAC[1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol
SMILESCC1(CO)CCN(CC2=CCCOC2)CC1
InChIInChI=1S/C13H23NO2/c1-13(11-15)4-6-14(7-5-13)9-12-3-2-8-16-10-12/h3,15H,2,4-11H2,1H3
InChIKeyYGGHEKMZJNJWKH-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.43
Rot. Bonds3

About [1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol

[1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol (PubChem CID 104695274) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol
PubChem CID104695274
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol
SMILESCC1(CO)CCN(CC2=CCCOC2)CC1
InChIInChI=1S/C13H23NO2/c1-13(11-15)4-6-14(7-5-13)9-12-3-2-8-16-10-12/h3,15H,2,4-11H2,1H3
InChIKeyYGGHEKMZJNJWKH-UHFFFAOYSA-N
XLogP1.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol?
The IUPAC name of [1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol (CID 104695274) is [1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol is CC1(CO)CCN(CC2=CCCOC2)CC1.
What is the InChIKey of [1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol?
The InChIKey is YGGHEKMZJNJWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(11-15)4-6-14(7-5-13)9-12-3-2-8-16-10-12/h3,15H,2,4-11H2,1H3.
What are the key properties of [1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol?
[1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol has a molecular weight of 225.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 104695274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).